tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate

C20H31NO5Si — CID 174065801

IUPACtert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)Cc1ccc(C2([SiH3])COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H31NO5Si/c1-7-24-16(22)12-14-8-10-15(11-9-14)20(27)13-25-19(5,6)21(20)17(23)26-18(2,3)4/h8-11H,7,12-13H2,1-6,27H3
InChIKeyNIKVZFJVVSTRMP-UHFFFAOYSA-N
MW393.56 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate

tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate (PubChem CID 174065801) has the molecular formula C20H31NO5Si and a molecular weight of 393.56 g/mol. Its IUPAC name is tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate
PubChem CID174065801
Molecular FormulaC20H31NO5Si
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Nametert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)Cc1ccc(C2([SiH3])COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H31NO5Si/c1-7-24-16(22)12-14-8-10-15(11-9-14)20(27)13-25-19(5,6)21(20)17(23)26-18(2,3)4/h8-11H,7,12-13H2,1-6,27H3
InChIKeyNIKVZFJVVSTRMP-UHFFFAOYSA-N
XLogP2.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
CID 118560274
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)-2-fluorophenyl]piperazine-1-carboxylate
CID 171598712
tert-butyl 4-[2-[[4-(2-ethoxy-2-oxoethyl)phenyl]methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 177056390
tert-butyl 2-[4-(1-hydroxycyclopropyl)phenyl]acetate
CID 118560566
ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19755076
tert-butyl 4-[(E)-N'-hydroxycarbamimidoyl]-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118308717
ethyl 2-[4-[(E)-2-[3-[(E)-2-[4-(2-ethoxy-2-oxoethyl)phenyl]ethenyl]-5-[(E)-2-[4-(2-oxopropyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetate
CID 135273843
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
diethyl 2-[[4-(2-ethoxy-2-oxoethyl)phenyl]methyl]-2-methylpropanedioate
CID 10498038
ethyl 2-[4-[[[1-alumanyl-1-(hydroxymethoxy)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]acetate
CID 163966669
tert-butyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 118318179
tert-butyl 4-(2-acetamidoacetyl)-2,2,4-trimethyl-1,3-oxazolidine-3-carboxylate
CID 157152097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate (CID 174065801) is tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)Cc1ccc(C2([SiH3])COC(C)(C)N2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is NIKVZFJVVSTRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO5Si/c1-7-24-16(22)12-14-8-10-15(11-9-14)20(27)13-25-19(5,6)21(20)17(23)26-18(2,3)4/h8-11H,7,12-13H2,1-6,27H3.
What are the key properties of tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate?
tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 393.56 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(2-ethoxy-2-oxoethyl)phenyl]-2,2-dimethyl-4-silyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 174065801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).